2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione

C20H19N3O3+2 — CID 123972806

IUPAC2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3c[nH+]c4cc(C)c(C)cc4[n+]3C2=O)cc1
InChIInChI=1S/C20H18N3O3/c1-4-26-15-7-5-14(6-8-15)22-19(24)18-11-21-16-9-12(2)13(3)10-17(16)23(18)20(22)25/h5-11H,4H2,1-3H3/q+1/p+1
InChIKeySNRLSPLTDQLVRJ-UHFFFAOYSA-O
MW349.39 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione

2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione (PubChem CID 123972806) has the molecular formula C20H19N3O3+2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
PubChem CID123972806
Molecular FormulaC20H19N3O3+2
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3c[nH+]c4cc(C)c(C)cc4[n+]3C2=O)cc1
InChIInChI=1S/C20H18N3O3/c1-4-26-15-7-5-14(6-8-15)22-19(24)18-11-21-16-9-12(2)13(3)10-17(16)23(18)20(22)25/h5-11H,4H2,1-3H3/q+1/p+1
InChIKeySNRLSPLTDQLVRJ-UHFFFAOYSA-O
XLogP2.59
TPSA64.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-ethoxyphenyl)-1,3-dioxoimidazo[1,5-a]quinoxaline-5,10-diium-8-carboxylate
CID 123169977
2-(4-ethoxyphenyl)-5-methylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
CID 56622718
3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110589463
3-(3,4-dimethylanilino)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588349
(5E)-3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6388432
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110550025
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675
(5Z)-5-(dimethylaminomethylidene)-1-(4-ethoxyphenyl)-3-ethylimidazolidine-2,4-dione
CID 20526811
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550036
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2896881
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589456

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione (CID 123972806) is 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione is CCOc1ccc(N2C(=O)c3c[nH+]c4cc(C)c(C)cc4[n+]3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The InChIKey is SNRLSPLTDQLVRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N3O3/c1-4-26-15-7-5-14(6-8-15)22-19(24)18-11-21-16-9-12(2)13(3)10-17(16)23(18)20(22)25/h5-11H,4H2,1-3H3/q+1/p+1.
What are the key properties of 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione has a molecular weight of 349.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-7,8-dimethylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione is sourced from PubChem (CID 123972806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).